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68375-92-8

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Basic Information
CAS No.: 68375-92-8
Name: 1,4-DIBROMOBUTANE-D8
Article Data: 5
Molecular Structure:
Molecular Structure of 68375-92-8 (1,4-DIBROMOBUTANE-D8)
Formula: C4Br2D8
Molecular Weight: 223.96
Synonyms: 1,4-Dibromobutane-d8;1,4-Dibromobutane-d8, 98 atom % d;
Density: 1.852 g/cm3
Melting Point: 20 °C(lit.)
Boiling Point: 197 °C at 760 mmHg
Flash Point: 65.2 °C
Hazard Symbols: ToxicT
Risk Codes: 25-37/38-41
Safety: 26-39-45
Transport Information: UN 2810 6.1/PG 3
PSA: 0.00000
LogP: 2.55640
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Specification

The CAS register number of Butane-1,1,2,2,3,3,4,4-d8,1,4-dibromo- is 68375-92-8. It also can be called as 1,4-Dibromobutane-d8 and the systematic name about this chemical is 1,4-dibromo(~2~H_8_)butane. The molecular formula about this chemical is C4Br2D8 and the molecular weight is 223.96. It belongs to the following product categories which include Alphabetical Listings; D; Stable Isotopes and so on.

Physical properties about Butane-1,1,2,2,3,3,4,4-d8,1,4-dibromo- are: (1)ACD/LogP: 2.75; (2)ACD/LogD (pH 5.5): 2.75; (3)ACD/LogD (pH 7.4): 2.75; (4)ACD/BCF (pH 5.5): 72.16; (5)ACD/BCF (pH 7.4): 72.16; (6)ACD/KOC (pH 5.5): 744.36; (7)ACD/KOC (pH 7.4): 744.36; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: Å2; (10)Index of Refraction: 1.507; (11)Molar Refractivity: 36.04 cm3; (12)Molar Volume: 120.9 cm3; (13)Polarizability: 14.28x10-24cm3; (14)Surface Tension: 35.6 dyne/cm; (15)Density: 1.852 g/cm3; (16)Flash Point: 65.2 °C; (17)Enthalpy of Vaporization: 41.55 kJ/mol; (18)Boiling Point: 197 °C at 760 mmHg; (19)Vapour Pressure: 0.544 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. It is irritating to respiratory system and skin. There is risk of serious damage to the eyes. If you want to use this chemical, wear eye / face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])(C([2H])([2H])C(Br)([2H])[2H])C(Br)([2H])[2H]
(2)InChI: InChI=1/C4H8Br2/c5-3-1-2-4-6/h1-4H2/i1D2,2D2,3D2,4D2
(3)InChIKey: ULTHEAFYOOPTTB-SVYQBANQES ;
(4)Std. InChI: InChI=1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2/i1D2,2D2,3D2,4D2
(5)Std. InChIKey: ULTHEAFYOOPTTB-SVYQBANQSA-N